3I3A

structural basis for the sugar nucleotide and acyl chain selectivity of leptospira interrogans lpxa

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 50
  • Norm. En. per Res.: -2.0773
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-25.8262	9.2917	-109.149	-125.6835	70	5	0	4024	1	20	29
A-C	-12.6284	-13.5885	-77.648	-103.8648	50	3	1	3179	1	18	15

Interface residues

• A-B: ALA227A, ALA227B, ARG225A, ARG225B, ARG249A, ARG249B, ARG253A, ARG253B, ARG259A, ARG259B, ASN257A, ASN257B, ASP175A, ASP175B, ASP229A, ASP250A, ASP250B, ASP252A, ASP252B, GLN156A, GLN156B, GLN174A, GLN174B, GLU232A, GLY221A, GLY221B, GLY254A, GLY254B, HIS155A, HIS155B, HIS219B, HIS258A, HIS258B, ILE217A, ILE217B, ILE222A, ILE222B, ILE245A, LEU228A, LEU228B, LYS226A, LYS226B, PHE157A, PHE157B, PHE159A, PHE248A, PHE248B, PRO186A, PRO186B, SER187B, SER220A, SER220B, SER223A, SER223B, SER251A, SER251B, THR188A, THR188B, THR224A, THR224B, THR256A, THR256B, TYR218A, TYR218B, VAL173A, VAL173B, VAL189A, VAL189B, VAL255A, VAL255B
• A-C: ALA209A, ALA213A, ALA47C, ARG207A, ASN208A, ASN236A, ASN30C, ASN73C, ASP101C, GLN240A, GLN34C, GLN74C, GLN75C, GLU100C, GLU14C, GLU205A, GLU230A, GLU239A, GLU50C, GLY235A, GLY48C, HIS212A, ILE210A, ILE238A, ILE51C, LEU231A, LEU237A, LEU76C, LEU77C, LYS12C, LYS211A, LYS215A, LYS242A, LYS79C, LYS96C, LYS99C, MET66C, PHE72C, PRO103C, PRO204A, SER102C, SER203A, SER234A, SER32C, SER49C, THR78C, VAL206A, VAL216A, VAL241A, VAL81C